%chk=000050968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050968

1 1
 O   -2.147000       1.757000      0.1613000    
 O    2.645200      -1.949800     -0.6696000    
 O    4.042200      0.2006000      0.4001000    
 N   -2.326800     -0.6529000     -2.8100001E-02
 C   -1.580300      0.5801000     -0.4380000    
 C   -3.824300     -0.4777000     -0.2878000    
 C   -2.118300     -0.9288000       1.462300    
 C  -8.0100000E-02  0.4638000     -0.2020000    
 C   -1.831200      -1.862700     -0.8227000    
 C   0.6436000       1.563600      0.2975000    
 C  -7.1000002E-02   2.841300      0.6454000    
 C   -1.387500       2.931100     -0.1087000    
 C   -4.045800     -0.2009000      -1.758700    
 C   -2.904000      -2.160600       1.855700    
 C   0.6191000     -0.7055000     -0.5403000    
 C    2.025300       1.458800      0.5092000    
 C    1.997500     -0.7969000     -0.3390000    
 C    2.698800      0.2815000      0.1918000    
 C    2.754600      -2.945900      0.3452000    
 C    4.890000      0.6038000     -0.6737000    
 H   -1.685400      0.6897000      -1.524700    
 H   -4.349400      -1.402800     -3.5300002E-02
 H   -4.202000      0.3337000      0.3434000    
 H   -1.053400      -1.088900       1.654800    
 H   -2.455900     -5.1399998E-02   2.025100    
 H   -1.546400      -1.568800      -1.838000    
 H   -1.102500      -2.442400     -0.2487000    
 H   -2.678600      -2.550600     -0.9473000    
 H  -0.2599000       2.836400       1.725600    
 H   0.5488000       3.711400      0.4031000    
 H   -1.961200       3.794700      0.2423000    
 H   -1.241700       3.043500      -1.190100    
 H   -5.124900     -0.2115000      -1.954900    
 H   -3.706200      0.7947000      -2.058400    
 H   -3.608500     -0.9437000      -2.429800    
 H   -2.613100      -2.440600       2.875900    
 H   -3.980900      -1.975800       1.908500    
 H   -2.721300      -3.043300       1.239300    
 H   0.2618000      -1.517600      -1.142700    
 H    2.576900       2.302100      0.9185000    
 H    3.313200      -2.561200       1.204200    
 H    3.296000      -3.800300     -7.0100002E-02
 H    1.761500      -3.280700      0.6618000    
 H    5.928600      0.4738000     -0.3574000    
 H    4.727000       1.658900     -0.9154000    
 H    4.713400     -1.6300000E-02  -1.558200    


%chk=000050968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050968

1 1
O -2.159667 1.689635 -0.542354
O 2.906275 -1.719861 -1.285538
O 4.037703 0.174827 0.694781
N -2.481558 -0.657333 -0.064151
C -1.507559 0.442511 -0.802167
C -3.947479 -0.380848 -0.494156
C -2.359334 -0.491752 1.464787
C -0.058574 0.339550 -0.385841
C -2.063178 -2.052784 -0.484647
C 0.486753 1.253037 0.563668
C -0.382861 2.390262 1.074686
C -1.326356 2.830138 -0.052290
C -4.201756 -0.385852 -2.006134
C -3.189346 -1.473416 2.303724
C 0.784824 -0.625670 -0.991500
C 1.853274 1.157802 0.896966
C 2.142943 -0.740503 -0.632987
C 2.694891 0.188803 0.306684
C 3.582538 -2.716357 -0.409858
C 5.046307 0.364592 -0.387174
H -1.641973 0.157416 -1.861659
H -4.551248 -1.158655 0.002183
H -4.201954 0.600972 -0.068041
H -1.286019 -0.601589 1.695270
H -2.659262 0.548837 1.668815
H -1.964629 -2.095553 -1.579372
H -1.098448 -2.299417 -0.019633
H -2.830192 -2.772823 -0.164310
H -0.968050 2.099773 1.968515
H 0.244005 3.248210 1.377176
H -2.073639 3.569110 0.274419
H -0.756709 3.234109 -0.909399
H -5.287824 -0.257548 -2.159897
H -3.707951 0.456040 -2.517337
H -3.921073 -1.333756 -2.495622
H -2.981734 -1.260959 3.367396
H -4.276572 -1.357545 2.162118
H -2.914703 -2.527339 2.129997
H 0.417832 -1.312859 -1.761606
H 2.311331 1.869039 1.592141
H 4.203213 -2.222583 0.357181
H 4.206119 -3.315829 -1.087992
H 2.825138 -3.359413 0.074699
H 6.018724 0.209378 0.100624
H 4.975958 1.397056 -0.773058
H 4.897720 -0.357951 -1.207706


